2-[(S)-(3,5-dimethoxyphenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile

Systemtic Name: 2-[(S)-(3,5-dimethoxyphenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile Openeye Name: 2-[(S)-(3,5-dimethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile CAS Name: 2-[(S)-(3,5-dimethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile IUPAC Name: 2-[(S)-(3,5-dimethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile Traditional Name: 2-[(S)-(3,5-dimethoxyphenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]malononitrile Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC(=CC(=C2)OC)OC)C(C#N)C#N

Isomeric SMILES

CC1=C(C(=O)NN1)[C@H](C2=CC(=CC(=C2)OC)OC)C(C#N)C#N

InChI

InChI=1S/C16H16N4O3/c1-9-14(16(21)20-19-9)15(11(7-17)8-18)10-4-12(22-2)6-13(5-10)23-3/h4-6,11,15H,1-3H3,(H2,19,20,21)/t15-/m1/s1